7-[bis(4-azanyl-3-methyl-cyclohexyl)methyl]azepan-2-one; terephthalic acid

Systemtic Name: 7-[bis(4-azanyl-3-methyl-cyclohexyl)methyl]azepan-2-one; terephthalic acid Openeye Name: 7-[bis(4-amino-3-methyl-cyclohexyl)methyl]azepan-2-one; terephthalic acid CAS Name: 7-[bis(4-amino-3-methylcyclohexyl)methyl]-2-azepanone; terephthalic acid IUPAC Name: 7-[bis(4-amino-3-methylcyclohexyl)methyl]azepan-2-one; terephthalic acid Traditional Name: 7-[bis(4-amino-3-methyl-cyclohexyl)methyl]azepan-2-one; terephthalic acid Formula: C29H45N3O5 MolecularWeight: 515.6847

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1N)C(C2CCC(C(C2)C)N)C3CCCCC(=O)N3.C1=CC(=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

CC1CC(CCC1N)C(C2CCC(C(C2)C)N)C3CCCCC(=O)N3.C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C21H39N3O.C8H6O4/c1-13-11-15(7-9-17(13)22)21(16-8-10-18(23)14(2)12-16)19-5-3-4-6-20(25)24-19;9-7(10)5-1-2-6(4-3-5)8(11)12/h13-19,21H,3-12,22-23H2,1-2H3,(H,24,25);1-4H,(H,9,10)(H,11,12)